2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | D291-0167 |
| Compound Name: | 2-{[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide |
| Molecular Weight: | 391.38 |
| Molecular Formula: | C15 H14 F N7 O3 S |
| Smiles: | CC(Nc1c(c2nnc(n2C)SCC(Nc2ccccc2F)=O)non1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2027 |
| logD: | 1.1979 |
| logSw: | -2.1459 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.792 |
| InChI Key: | HLQQMHIQFWKLGM-UHFFFAOYSA-N |